[ase-users] let calculator just generate input files

Johannes Wagner jowagner at gfz-potsdam.de
Fri Aug 16 13:07:42 CEST 2019


Hi all!

maybe I missed it in the docs, but is there a way to let my calc object 
just generate the input files but don't run the calculator executable?

what I am trying to do is to generate several folders with ready to go 
calculations but give those to the LSF of our cluster, let them run and 
give the results back to ase.

all the best and a have good weekend!

-- 
Dr rer nat Johannes Wagner

Section 3.6
Chemistry and Physics of Earth Materials
Helmholtz-Zentrum Potsdam
Deutsches GeoForschungsZentrum - GFZ
Telegrafenberg, D-14473 Potsdam
Germany

Tel +49(0)331-288-27558
D225



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